methyl 3-[[2-(1-carbamimidoylpiperidin-4-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(1-carbamimidoylpiperidin-4-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(1-carbamimidoyl-4-piperidyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(1-carbamimidoyl-4-piperidinyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-carbamimidoylpiperidin-4-yl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(1-amidino-4-piperidyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3CCN(CC3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3CCN(CC3)C(=N)N

InChI

InChI=1S/C19H26N6O3/c1-24-15-4-3-13(18(27)22-8-5-16(26)28-2)11-14(15)23-17(24)12-6-9-25(10-7-12)19(20)21/h3-4,11-12H,5-10H2,1-2H3,(H3,20,21)(H,22,27)